Evaluation of the Boys function using analytical relations


Guseinov I. I. , Mamedov B. A.

JOURNAL OF MATHEMATICAL CHEMISTRY, cilt.40, ss.179-183, 2006 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 40 Konu: 2
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1007/s10910-005-9023-3
  • Dergi Adı: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Sayfa Sayıları: ss.179-183

Özet

The analytical relations for Boys function F-m (x) are presented. These relations are useful in the fast and more accurate calculations of multicenter molecular integrals over Gaussian type orbitals (GTOs). The formulas obtained are numerically stable for all values of m and x.